BDBM178163 US9120808, Example 41::US9120808, Example 42

SMILES: ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1

InChI Key: InChIKey=ROBNSNBYRBBNOO-XGTXGMFGSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 178163   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-lactamase AmpC (Escherichia coli)	BDBM178163 (US9120808, Example 41 | US9120808, Example 42) Show SMILES ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4| Show InChI InChI=1S/C18H16INO6/c19-8-11-6-12(17(22)25-11)16-15(20-13(21)7-14(20)26-16)18(23)24-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2/t11?,14-,15?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	285	n/a	n/a	n/a	n/a	7.0	37
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015) BindingDB Entry DOI: 10.7270/Q2Q81BT5
					More data for this Ligand-Target Pair
Beta-lactamase (SHV-1) (Escherichia coli)	BDBM178163 (US9120808, Example 41 | US9120808, Example 42) Show SMILES ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4| Show InChI InChI=1S/C18H16INO6/c19-8-11-6-12(17(22)25-11)16-15(20-13(21)7-14(20)26-16)18(23)24-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2/t11?,14-,15?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.0	37
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015) BindingDB Entry DOI: 10.7270/Q2Q81BT5
					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM178163 (US9120808, Example 41 | US9120808, Example 42) Show SMILES ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4| Show InChI InChI=1S/C18H16INO6/c19-8-11-6-12(17(22)25-11)16-15(20-13(21)7-14(20)26-16)18(23)24-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2/t11?,14-,15?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.0	37
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015) BindingDB Entry DOI: 10.7270/Q2Q81BT5
					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM178163 (US9120808, Example 41 | US9120808, Example 42) Show SMILES ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4| Show InChI InChI=1S/C18H16INO6/c19-8-11-6-12(17(22)25-11)16-15(20-13(21)7-14(20)26-16)18(23)24-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2/t11?,14-,15?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	385	n/a	n/a	n/a	n/a	7.0	37
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015) BindingDB Entry DOI: 10.7270/Q2Q81BT5
					More data for this Ligand-Target Pair
Beta-lactamase (SHV-1) (Escherichia coli)	BDBM178163 (US9120808, Example 41 | US9120808, Example 42) Show SMILES ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4| Show InChI InChI=1S/C18H16INO6/c19-8-11-6-12(17(22)25-11)16-15(20-13(21)7-14(20)26-16)18(23)24-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2/t11?,14-,15?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.0	37
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015) BindingDB Entry DOI: 10.7270/Q2Q81BT5
					More data for this Ligand-Target Pair
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM178163 (US9120808, Example 41 | US9120808, Example 42) Show SMILES ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4| Show InChI InChI=1S/C18H16INO6/c19-8-11-6-12(17(22)25-11)16-15(20-13(21)7-14(20)26-16)18(23)24-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2/t11?,14-,15?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.0	37
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015) BindingDB Entry DOI: 10.7270/Q2Q81BT5
					More data for this Ligand-Target Pair